General Information of the Compound
| Compound ID |
CP0336829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((1H-benzo[d]imidazol-2-ylamino)methyl)-N-(2-aminophenyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N5O
|
||||||||||||||||||
| Molecular Weight |
357.417
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccccc3[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N5O/c22-16-5-1-2-6-17(16)24-20(27)15-11-9-14(10-12-15)13-23-21-25-18-7-3-4-8-19(18)26-21/h1-12H,13,22H2,(H,24,27)(H2,23,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDBOAFOJZRJJBV-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000767 | HMEC-1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 27000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|